SCHEMBL7027240

SCHEMBL7027240

C=C(C)C(=O)OCCc1cc(Cc2cc(CCCCCCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
PLA2G4A P47712 1/20 0.32
POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7023514 0.99 TSHR (0.37) TSHRTHRATHRBCNR2CNR1
SCHEMBL7031681 0.96 TSHR (0.35) TSHRTHRBNPC1RAB9AALDH1A1
SCHEMBL7026527 0.93 NPC1 (0.34) TSHRTHRBNPC1RAB9AALDH1A1
SCHEMBL7736250 0.92 NPC1 (0.37) THRBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7737490 0.92 POLB (0.35) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7030431 0.91 NPC1 (0.34) TSHRTHRBNPC1RAB9AALDH1A1
SCHEMBL7729403 0.91 NPC1 (0.36) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7024902 0.88 CNR2 (0.34) TSHRCNR2CNR1
SCHEMBL7031661 0.88 NPC1 (0.43) THRBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7031911 0.88 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924203-B1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL CO LTD (JP) 2003-02-05 EP disclosed
US-6281313-B1 2,2′BIS(6-Benzotriazolylphenol) compound, ultraviolet ray absorber comprising the compound, copolymer containing the compound and polymer composition containing the compound OTSUKA CHEMICAL CO., LTD. (JP) 2001-08-28 US disclosed
US-6084104-A FREE FROM VOLATILITY AND ELUTION PROBLEMS DURING POLYMERIZATION OR MOLDING; EXCELLENT IN ALKALI RESISTANCE, HEAT RESISTANCE; NOT COLORED WHERE ALKALIS OR METAL IONS ARE PRESENT; EXCELLENT ULTRAVIOLET ABSORPTIVITY; WEATHERING OTSUKA CHEMICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0924203-A1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL COMPANY, LIMITED (JP) 1999-06-23 EP disclosed